%chk=000080222.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080222

0 1
 O    2.254600       1.911000      3.0000001E-04
 N   -3.702200       1.279000     -1.5000000E-03
 C   0.9476000     -5.2600000E-02  1.4000000E-03
 C  -0.2549000      0.6545000      1.7000000E-03
 C   0.9364000      -1.447500      3.9999999E-04
 C    2.212800      0.6645000      9.9999997E-05
 C   -1.468400     -3.3500001E-02  8.9999998E-04
 C  -0.2770000      -2.135400     -3.9999999E-04
 C   -1.479300      -1.428400     -9.9999997E-05
 C    3.530900     -0.1022000     -2.3000001E-03
 C   -2.700500      0.6905000     -5.0000002E-04
 H  -0.2562000       1.742600      1.8000000E-03
 H    1.848200      -2.036600     -9.9999997E-05
 H  -0.2861000      -3.221500     -1.4000000E-03
 H   -2.417100      -1.978900     -1.0000000E-03
 H    3.611300     -0.7134000     -0.9050000    
 H    3.613900     -0.7145000      0.8994000    
 H    4.360400      0.6122000     -3.0000000E-03


%chk=000080222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080222

0 1
O 2.237580 1.966459 -0.000243
N -3.758670 1.317052 0.000741
C 0.964651 -0.078307 -0.000601
C -0.251915 0.649711 0.000013
C 0.927485 -1.497945 -0.000963
C 2.259066 0.702453 -0.000706
C -1.492339 -0.033140 0.000284
C -0.308988 -2.179895 -0.000731
C -1.518964 -1.458072 -0.000111
C 3.576616 -0.060053 -0.001318
C -2.730429 0.705031 0.000981
H -0.204652 1.743610 0.000269
H 1.859970 -2.071614 -0.001484
H -0.331629 -3.274404 -0.001047
H -2.481683 -1.978866 0.000052
H 3.659485 -0.710572 -0.892357
H 3.660026 -0.711106 0.889278
H 4.408789 0.659460 -0.001355


